UCSF

ZINC06429990

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2006 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.94 11.63 -13.56 1 5 0 79 414.914 6
Hi High (pH 8-9.5) 5.12 10.12 -43.89 0 5 -1 86 413.906 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )